Improved carbohydrate force field for GROMOS: Ring and hydroxymethyl group conformations and exo-anomeric effect

Carbohydrate Research

Volumn 322, Issue 3-4, 1999, Pages 264-273

  Spieser, Stéphane A H ^a   Van Kuik, J Albert ^a   Kroon Batenburg, Loes M J ^a   Kroon, Jan ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Carbohydrates; Force field; Fructose; Glucose; GROMOS; Ring conformation

Indexed keywords

GLUCOPYRANOSIDE;

ARTICLE; CALCULATION; CARBOHYDRATE ANALYSIS; CHEMICAL BOND; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONFORMATION; FORCE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; STEREOISOMERISM;

EID: 0343502599     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6215(99)00228-1     Document Type: Article

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